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Zirui Wang

Publications and source records attributed to Zirui Wang.

At least 19 recordsLinked to original sources

ADMET-EvO: a self-evolving scientific agent for sustained research across heterogeneous tasks

Scientific agents can move beyond automated model building by using accumulated evidence to revise both their questions and experimental strategies. The challenge is sustaining this adaptation across heterogeneous tasks without overfitting decisions to internal validation. Absorption, distribution, metabolism, excretion and toxicity (ADMET) prediction provides a demanding setting across diverse assays, datasets and chemical domains. We therefore developed ADMET-EvO, an evidence-gated agent that formalizes endpoints, generates falsifiable hypotheses and tests interventions across data, feature and model axes. It carries supported, rejected and inconclusive outcomes forward to guide each new cycle. Across the 22-task Therapeutics Data Commons (TDC) ADMET benchmark, ADMET-EvO achieved the highest task-normalized score of 96.77. Evidence-guided selection reduced cumulative fitting time by 72.2% within a predefined non-inferiority margin. It also formalized 43 toxicity-related tasks and constructed endpoint-specific predictors. Together, these results show how ADMET-EvO can accumulate evidence, revise its strategy and expand its research scope over time.

q-bio.QM

Xiaomi-TabLDM: A Tabular Foundation Model Technical Report

We introduce Xiaomi-TabLDM, a tabular large data foundation model for classification and regression via in-context learning, which delivers superior prediction accuracy without requiring task-specific fine-tuning. Pretrained exclusively on synthetic data generated from structural causal models (SCMs), our model enables more flexible context utilization and more efficient capacity scaling. i) A new performance standard. Strong regression performance across benchmarks: Xiaomi-TabLDM ranks 1st on OpenML-CTR23 and 2nd on regression across TALENT, TabArena, and BCCO, demonstrating consistently strong regression performance across four complementary benchmark suites. Favorable performance--efficiency trade-off: Xiaomi-TabLDM combines strong predictive performance with substantially lower computational cost. For example, on TabArena regression, it achieves the second-highest Elo while using 82% less training time and 68% less prediction time than the top-ranked TabFM. ii) Large-scale synthetic pretraining. Xiaomi-TabLDM expands the coverage and diversity of synthetic tabular data used for pretraining. We also adopt a three-stage training strategy together with dual-stream feature grouping, lightweight Attention Residual, and sparse Mixture-of-Experts, enabling Xiaomi-TabLDM to learn richer feature interactions and expert specialization across diverse tabular tasks. iii) Test-time scaling. Xiaomi-TabLDM further extends tabular prediction through test-time compute scaling, where allocating additional computation at inference time consistently improves predictive performance over the base model.

cs.AI

RoboGesture: Real-Time Semantic-aligned Co-Speech Gestures Generation for Humanoid Interaction

Enabling humanoid robots to respond to human speech with synchronized and semantically meaningful gestures is fundamental to natural human-robot interaction. However, this task faces three critical barriers: the scarcity of semantically rich datasets, the "modality eclipse" where models ignore audio cues in favor of kinematic inertia, and the sim-to-real gap regarding physical safety. We propose RoboGesture, a robot-centric framework that co-designs data, modeling, and control to power a complete interactive human-humanoid system in which the robot listens, responds, and gestures in real time. We first establish the RoboGesture dataset featuring over 300 gesture categories and develop an automated pipeline to synthesize large-scale collision-free, robot-specific audio-motion pairs. Our architecture features a Hierarchical Semantic-Acoustic Aligner that extracts multi-granular prosodic and semantic cues directly from raw audio tokens. These cues drive a Streaming Conditional Motion Generator based on a diffusion transformer with conditional flow matching. To ensure high responsiveness, we introduce Anti-Inertia CFG Masking, which prevents the model from collapsing into repetitive historical patterns by compelling it to proactively mine control signals from the audio modality. Finally, an MPC-based safety filter ensures real-time, collision-free execution on physical hardware. Experiments on a Unitree G1 humanoid demonstrate that RoboGesture generates safer, more rhythmic, and more semantically appropriate responses compared to state-of-the-art baselines.

cs.RO

FL-MAESTRO: Multi-Agent LLM Orchestration for Resource-Constrained Federated Learning

In Federated Learning (FL), the communication topology is a runtime variable rather than a fixed design choice, since links and edge devices drop in and out during training. Each round, the server must commit three coupled decisions, namely the communication topology, per-client resource allocation, and the aggregation rule for combining local updates. Recent agentic systems have begun bringing large language models (LLM) into FL, but the existing line of work either operates at setup time or handles a single runtime dimension such as client selection. We propose FL-MAESTRO, a multi-agent orchestrator that makes the joint runtime FL decision directly through three specialist LLM agents, one per decision dimension. A coordinator combines their analyses into a single decision, and a non-LLM feasibility check confirms it before the round executes. Because the orchestrator consumes the server's predicted-failure list, it withholds clients whose updates would never be aggregated, which removes the dominant source of wasted round energy in classical FL on volatile edge networks. Because client state is read as natural-text profiles, the same orchestrator extends to heterogeneous device classes without per-class energy models. On a non-IID CIFAR-10 benchmark, FL-MAESTRO matches the accuracy of the strongest energy-aware baseline while cutting wasted round energy from over a third to near zero. Code is available at https://github.com/denoslab/FL-MAESTRO.

cs.AI

EpiBench: Can LLMs Understand Epitopes for Antibody Drug Discovery?

Epitopes determine where antibodies bind antigens and shape downstream therapeutic properties such as functional blockade and escape resistance, making epitope understanding central to antibody drug discovery. Although large language models (LLMs) have shown strong biomedical reasoning ability, it remains unclear whether they can infer epitope information directly from antigen and antibody sequences. Existing epitope resources typically focus on isolated prediction tasks or rely on specialized structural settings, while general protein benchmarks do not evaluate epitope-centered decisions across the antibody development workflow. To address this gap, we introduce EpiBench, a closed-book, sequence-based, and automatically scorable benchmark for evaluating epitope reasoning in LLMs. EpiBench contains 1,609 curated samples grounded in structural antibody--antigen contacts, curated functional B-cell assays, and deep mutational scanning escape measurements. It covers five connected tasks: targetable region discovery, antibody-conditioned epitope identification, epitope binning, functional epitope assessment, and antibody escape assessment, with controlled sampling to reduce shortcut-based evaluation artifacts. We evaluate nine general-purpose LLMs and analyze their behavior through task-specific baselines, antigen length stratification, explicit-reasoning comparison, and failure-mode inspection. The results show that current LLMs capture partial epitope-related signals but remain limited in antibody-specific sequence grounding, long-context residue localization, and biologically grounded reasoning. Therefore, EpiBench provides a diagnostic testbed for measuring and improving sequence-aware biomedical LLMs toward reliable LLM-assisted antibody discovery.

cs.CL

An active-learning framework for real-time depth perception from monocular vision streams

Biological visual systems can perceive depth from monocular vision flow, continuously integrating temporal visual cues while maintaining a balance between stability and plasticity in dynamic environments. In contrast, artificial perception models deployed on resource-constrained edge devices are typically trained in a static offline manner and remain frozen after deployment, often suffering severe performance degradation under domain shifts. While large-scale models may encode broad knowledge through massive parameter redundancy, lightweight networks face a static optimization dilemma: forcing compact models to learn universal geometric representations is computationally inefficient and often leads to performance saturation. To resolve this issue, an Online Active Learning (OAL) mechanism is introduced to endow compact neural networks with the capability to adapt continuously during operation. A closed-loop Predict-Evaluate-Correct learning paradigm is established to actively select high-confidence, information-rich signals from streaming visual input. Crucially, Elastic Weight Consolidation (EWC) is employed not merely to prevent catastrophic forgetting, but to enforce Selective Plasticity, preserving parameters that encode globally relevant structural knowledge while allowing local alignment to newly observed environments. Built upon a MobileNetV3-Small backbone, the proposed system achieves approximately a 75% reduction in computational cost while maintaining competitive depth estimation accuracy. Experimental results demonstrate that adaptability is not solely determined by model size, but rather by how effectively parameter plasticity is regulated in dynamic environments.

cs.CV

Open-Ended CT Volume Segmentation with Weak Supervision from Language

We introduce a method for training a text-conditioned segmentation model for CT scans, which combines voxel-level supervision with coarse but scalable slice-level supervision from reports. We extract, from a large database of scan-report pairs, descriptions of findings with indices of slices where those findings occur. We then finetune a general-purpose 2D image segmentation model, SAM3, with standard segmentation losses from strongly labeled data and with a slice-level classification loss from the extracted weak supervision. Our results on the ReXGroundingCT dataset illustrate that this strategy improves the segmentation dice score: from an 8% relative gain when there are 1000 fully labeled volumes to 22% when there are 250 fully labeled volumes.

cs.CV

Scaling Behavior Foundation Model for Humanoid Robots

Humanoid control requires natural whole-body coordination, precise real-time responses to control signals, and robust generalization across diverse environmental contexts, making it a cornerstone for generalist embodied agents. Behavior Foundation Models (BFMs) have recently emerged as a promising solution to address these challenges by leveraging large-scale behavioral data to achieve superior expressiveness, versatility and generalization. However, despite growing interest in scaling BFMs to further improve their capabilities, it remains unclear how key factors, including the learning paradigm, behavioral data and model architecture should be coordinated to enable effective scaling. In this work, we revisit the scaling recipe for BFMs and demonstrate that substantial performance gains can be achieved through the coordination of three core components: 1) the learning paradigm of motion tracking that reformulates diverse humanoid control problems as the reproduction of integrated whole-body behaviors in the global frame; 2) the strategic synergy between on-policy rollout quantity and reference motion diversity; and 3) the expressive and scalable model architecture termed Humanoid Transformer that facilitates the natural emergence of structured behavioral representations. Through extensive experiments in both simulation and real-world deployment, we demonstrate that our approach yields significant improvements in control fidelity and task generalization, reducing Mean Per-Keypoint Position Error (MPKPE) on the test set by over 10% in local mode and 82% in global mode compared with existing humanoid controllers. These results establish BFM as a principled and effective foundation for scalable and general-purpose humanoid control.

cs.RO

Understanding Agent-Based Patching of Compiler Missed Optimizations

Compiler missed optimizations refer to cases in which compilers failed to optimize certain code. It takes many compiler developers' efforts to implement or patch such missed optimizations. In this paper, we present a systematic study of how well agents patch compiler missed optimizations. We identify a significant challenge that patching a missed optimization requires more than just fixing the reported case, and instead requires generalizing to similar cases. We construct a benchmark of real-world LLVM missed optimization issues and compare agent-generated patches with patches from developers in terms of optimization scope. Our results show that coding agents often optimize the given examples, but many generated patches either cover only part of the developer-intended scope or partially overlap with it; in some cases, they further generalize beyond the reference patch. We further introduce historical-knowledge augmentation techniques that leverage prior LLVM optimization pull requests through retrieval and distillation, showing that they improve developer-aligned generalization and yield practical benefits when applied to real-world IR.

cs.SE

Anchoring on Reality: Breaking the Pseudo-Target Ceiling in Makeup Transfer

Makeup transfer applies a reference cosmetic style to a source face while preserving its identity and geometry. However, this task is severely hindered by the lack of real paired training data. Current methods rely on either weak priors or synthetic pseudo-targets from large-scale editing models. These paradigms provide suboptimal guidance, often leading to degraded fine-grained details, synthetic artifacts, and identity drift. To this end, we propose Anchoring on Reality Makeup Transfer (ART), a two-stage framework with a reality-anchored refinement cycle. In Stage I, the model is initialized with pseudo-targets to establish basic semantic alignment and global makeup placement. Crucially, Stage II shifts supervision from pseudo-targets to the real reference, reconstructing it from its bare-skin counterpart through a differentiable cycle that penalizes any omitted detail and overrides synthetic artifacts. Furthermore, we introduce MakeupFaces2K (MF2K), the first 2K-resolution in-the-wild makeup portrait dataset comprising 8,573 images. Extensive experiments demonstrate that our method achieves superior makeup fidelity, strong background stability, and robust identity preservation, especially for complex makeup styles.

cs.CV

ReactiveBFM: Reactive Closed-Loop Motion Planning Towards Universal Humanoid Whole-Body Control

While current Behavior Foundation Models (BFMs) provide robust control priors for humanoids, they only execute pre-defined reference motions. As a result, they are vulnerable to environmental shifts and incapable of reactive whole-body coordination. Naively cascading them with generative motion planners fails to achieve true reactivity, as inevitable tracking discrepancies induce fatal cumulative exposure bias. To bridge this gap, we propose ReactiveBFM, a real-time closed-loop planning-control framework. At its core, we effectively mitigate exposure bias via a scheduled prefix sampling curriculum, forcing the generative planner to actively learn error-recovery behaviors from imperfect physical states rather than ground-truth trajectories. Systematically, to reconcile the severe latency mismatch between auto-regressive planning and high-frequency tracking, we introduce an asynchronous replanning mechanism. Combined with trajectory chunking to temporally ensemble spatial references, our system guarantees spatio-temporally fluid execution without physical jitter. Deployed on the Unitree G1 humanoid, ReactiveBFM demonstrates unprecedented physical agility across a vast repertoire of text-conditioned closed-loop motions. Notably, ReactiveBFM achieves zero-shot moving target reaching, showcasing intricate whole-body coordination and on-the-fly replanning. In sim-to-sim benchmarking under severe perturbations, ReactiveBFM achieves a 93.1% success rate, significantly outperforming cascaded open-loop baselines by 28.6%.

cs.RO

Generalized Fine-Tuning of Diffusion Models via Stochastic Control and FBSDEs

We propose a generalized fine-tuning framework for diffusion models from the perspective of stochastic control. Beyond entropy-regularized formulations, we introduce a general running cost that induces a relative generalized path cost, encompassing both Kullback-Leibler divergence and optimal transport metrics as special cases. This leads to a fully nonlinear Hamilton-Jacobi-Bellman equation. We characterize the value function through a forward-backward stochastic differential equation system and establish existence and uniqueness under standard regularity conditions. The optimal control admits a nonlinear feedback form driven by the backward stochastic differential equation gradient component. Finally, we show that generalized fine-tuning naturally introduces an additional gradient-dependent penalty, providing a unified framework for diffusion fine-tuning under general distributional constraints.

math.OC

Playful Agentic Robot Learning

Current agentic robot systems can write executable Code-as-Policy programs, observe feedback, and revise behavior across multiple attempts, but they remain largely task-driven: reusable skills are acquired only after explicit instructions. We study Playful Agentic Robot Learning, where an embodied coding agent uses self-directed play as a continual skill-learning stage before downstream tasks arrive. We introduce RATs, Robotics Agent Teams designed for play-time skill acquisition. During play, RATs proposes novel yet learnable exploratory tasks, plans and executes robot-code policies, verifies intermediate progress, diagnoses failures, retries with dense, step-level feedback, and distills successful executions into a persistent code skill library. At test time, the agent reuses relevant skills from this frozen library to help solve new tasks. Experiments in LIBERO-PRO and MolmoSpaces show that play-learned skills improve held-out downstream tasks over no-play and random-play baselines, with 20.6 and 17.0 percentage-point gains over CaP-Agent0 on LIBERO-PRO and MolmoSpaces, respectively. Moreover, the learned skills can be plugged into other inference-time Code-as-Policy agents by simply retrieving them into the context, improving RoboSuite and real-world transfer by 8.9 and 8.8 points, respectively, without finetuning the underlying model.

cs.RO

DarkFlow: Hierarchical Digital SiPM Architecture with Low-Loss Dataflow Readout for Dark Matter Detection

Direct dark matter detection experiments require large-scale photon sensing arrays with hundreds of thousands of synchronized readout channels. Silicon photomultipliers (SiPMs) have emerged as a leading candidate for these detectors due to their high integration density, low bias voltage, and superior radiopurity. However, existing digital SiPM readout architectures struggle to simultaneously preserve nanosecond-level temporal resolution for sparse scintillation events and sustain data integrity during high-intensity photon bursts. We propose DarkFlow, a hierarchical digital SiPM architecture that features local data aggregation, compact relative-time encoding, consumer-driven backpressure, and occupancy-aware eDRAM burst buffering within a unified dataflow framework. We show that DarkFlow maintains ultra-low packet loss at billion-photon event rates, where conventional architectures can exceed 80% data loss. Besides, the occupancy-aware refresh achieves a 2.14x improvement in effective refresh rate over conventional global refresh. Hardware evaluation in GlobalFoundries 22nm node confirms that the digital readout datapath accounts for less than 0.86% of the detector area and complies with the strict power budget in liquid argon environments.

physics.ins-det

Stateful Visual Encoders for Vision-Language Models

Vision-language models (VLMs) are increasingly used in multi-image, multi-turn agentic settings where decisions depend on visual changes. However, in existing open-weight VLMs, visual comparisons happen only inside the language model, while the visual encoder itself remains stateless: each image is encoded independently, without access to the prior visual context. As a result, small but task-critical changes may be attenuated before the language model has a chance to compare them, especially when those changes do not affect the high-level semantics of the scene. We introduce a Stateful Visual Encoder, which conditions each visual representation on prior visual features. Under supervised finetuning, VLMs equipped with stateful encoders achieve consistent improvements on controlled tasks involving cross-image spatial aggregation, multi-object visual differencing, and visual trajectory behavior cloning. These improvements are consistent across input resolutions, language model sizes, and VLM backbones. Finally, we validate our model on real-world tasks, including longitudinal radiology, fine-grained image comparison, and remote sensing, where stateful encoders consistently improve generalist VLM baselines and can match or surpass specialized models in selected domains. Project page: https://statefulvisualencoders.github.io/

cs.CV

PIXELRAG: Web Screenshots Beat Text for Retrieval-Augmented Generation

Augmenting large language models (LLMs) with retrieved web text has become a dominant paradigm, yet the web is not natively textual: existing systems depend on complex parsing pipelines that linearize HTML and discard layout, visual structure, and formatting. We introduce PixelRAG, a new retrieval-augmented method that represents websites in their native visual form and performs retrieval and reading entirely in pixel space, enabling an end-to-end architecture that eliminates text abstraction. PixelRAG is, to our knowledge, the first pipeline to operate over a full Wikipedia corpus in this form, scaling to a datastore of 30 million screenshot images with an efficient visual retrieval index. Built on an existing visual embedding model (i.e., Qwen3-VL-Embedding), PixelRAG further fine-tunes this model on screenshot data with carefully curated contrastive training data. Retrieved screenshots are then fed directly as pixel inputs to a VLM, without intermediate text conversion. PixelRAG consistently outperforms both no-retrieval and text-based RAG baselines, most surprisingly on widely studied text-centric tasks such as NQ and SimpleQA. It also achieves strong gains on multimodal open-domain QA (e.g., MMSearch), benchmarks over noisy news corpora (e.g., LiveVQA), and agentic benchmarks (e.g., MoNaCo), improving accuracy by up to 18.1% over text-based baselines. Finally, pixel representations enable a new efficiency lever for RAG through image compression, achieving up to 3x token cost reduction at lower resolutions while maintaining accuracy. Our results challenge the necessity of text representations in web retrieval, suggesting that web RAG can operate directly in the web's native visual form while improving both performance and efficiency.

cs.IR

LatentBox: Storing AI-Generated Images at Scale via a Latent-First Design

The explosive growth of AI-generated images has created a sustainability challenge for storage infrastructure. Platforms like Midjourney and Adobe Firefly already host billions of generative images, yet conventional object stores persist them as blobs with full-resolution pixels, consuming huge amounts of storage capacity and bandwidth. Unlike natural photos, however, AI-generated images can be deterministically reconstructed from compact, model-native latent tensors, making persistent image storage fundamentally redundant. This paper presents LatentBox, a latent-first storage system for AI-generated images. LatentBox treats compressed latents as durable storage objects and uses on-demand GPU reconstruction on the read path to trade inexpensive compute for large persistent storage savings. Our design is guided by the first large-scale analysis of AI-generated image access we are aware of, based on a 35-month, 2-billion-request production trace from a major generative-content platform. Motivated by the trace analysis, LatentBox keeps frequently accessed images in decoded pixel format for fast hits, stores less-active objects as compressed latents to expand effective cache capacity, and continuously adjusts the splits between the image and latent cache to optimize user-perceived access latency.We build a LatentBox prototype and evaluate it with the production trace. LatentBox reduces persistent storage by 78.7% with competitive or even lower mean and tail latency over a pure image-based storage.

cs.DC

HDRFace: Rethinking Face Restoration with High-Dimensional Representation

Face restoration under complex degradations still remains an ill-posed inverse problem due to severe information loss. Although diffusion models benefit from strong generative priors, most methods still condition only on low-quality inputs, making it difficult to recover identity-critical details under heavy degradations. In this work, we propose HDRFace, a High-Dimensional Representation conditioned Face restoration framework that injects semantically rich priors into the conditional flow without modifying the generative backbone. Our pipeline first obtains a structurally reliable intermediate restoration with an off-the-shelf restorer, then uses a pretrained high-dimensional feature encoder to extract fine-grained facial representations from both the low-quality input and the intermediate result, and injects them as additional conditions for generation. We further introduce SDFM, a Structure-Detail aware adaptive Fusion Mechanism that emphasizes global constraints during structure modeling and strengthens representation guidance during detail synthesis, balancing structural consistency and detail fidelity. To validate the generalization ability of our method, we implement the proposed framework on two generative models, SD V2.1-base and Qwen-Image, and consistently observe stable and coherent performance gains across different architectures.

cs.CV